N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C21H20F3N5O3 — CID 166632901

IUPACN-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCCCCOc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N
InChIInChI=1S/C21H20F3N5O3/c1-2-3-9-32-16-10-17(26-12-14(16)11-25)28-20(31)29-8-4-5-13-6-7-15(27-19(13)29)18(30)21(22,23)24/h6-7,10,12H,2-5,8-9H2,1H3,(H,26,28,31)
InChIKeyPWWBWLYTOBXVLV-UHFFFAOYSA-N
MW447.42 g/mol
LogP4.26
Rot. Bonds6

About N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166632901) has the molecular formula C21H20F3N5O3 and a molecular weight of 447.42 g/mol. Its IUPAC name is N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID166632901
Molecular FormulaC21H20F3N5O3
Molecular Weight447.42 g/mol
Exact Mass447.15
IUPAC NameN-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCCCCOc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N
InChIInChI=1S/C21H20F3N5O3/c1-2-3-9-32-16-10-17(26-12-14(16)11-25)28-20(31)29-8-4-5-13-6-7-15(27-19(13)29)18(30)21(22,23)24/h6-7,10,12H,2-5,8-9H2,1H3,(H,26,28,31)
InChIKeyPWWBWLYTOBXVLV-UHFFFAOYSA-N
XLogP4.26
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036235
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[formyl(methyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 134256035
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155758545
6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036505
N-[5-cyano-4-(2-fluoroethoxy)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036587
N-[5-cyano-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036518
6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methylpropoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036253
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4R)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 162667418
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 134256052
6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036406
6-[(4-acetylpiperazin-1-yl)methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036398
N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036666

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166632901) is N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CCCCOc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N.
What is the InChIKey of N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is PWWBWLYTOBXVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O3/c1-2-3-9-32-16-10-17(26-12-14(16)11-25)28-20(31)29-8-4-5-13-6-7-15(27-19(13)29)18(30)21(22,23)24/h6-7,10,12H,2-5,8-9H2,1H3,(H,26,28,31).
What are the key properties of N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 447.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166632901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).